RefChem:1084547
TL;DR: RefChem:1084547 (CAS 85689-87-8) is a chemical compound with molecular formula C25H29NO5 and molecular weight 423.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-(4-cyclopentylphenyl)-2-oxoethyl]-methylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-(4-Cyclopentylphenyl)-2-(methyl(phenylmethyl)amino)ethanone hydrogen maleate, Ethanone, 1-(4-cyclopentylphenyl)-2-(methyl(phenylmethyl)amino)-, (Z)-2-butenedioate (1:1), benzyl-[2-(4-cyclopentylphenyl)-2-oxoethyl]-methylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, ETHANONE, 1-(4-CYCLOPENTYLPHENYL)-2-(METHYL(PHENYLMETHYL)AMINO)-, (Z)-2-BUTENEDI, RefChem:1084547
| Molecular Formula | C25H29NO5 |
|---|---|
| Molecular Weight | 423.20 g/mol |
| LogP | 1.6189 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.20456 |
| Heavy Atoms | 31 |
| Complexity | 867.8882 |
Chemical Identifiers
| CAS Number | 85689-87-8 |
|---|---|
| SMILES | C[NH+](CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)C3CCCC3.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1084547 (CAS 85689-87-8), with molecular formula C25H29NO5 and molecular weight 423.20 g/mol. IUPAC: benzyl-[2-(4-cyclopentylphenyl)-2-oxoethyl]-methylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1084547
Property Insights of RefChem:1084547
The XLogP value of 1.6189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084547. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084547. Following Lipinski's Rule of Five, RefChem:1084547 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1084547?
The CAS number of RefChem:1084547 is 85689-87-8.
What is the molecular formula of RefChem:1084547?
The molecular formula of RefChem:1084547 is C25H29NO5.
What is the molecular weight of RefChem:1084547?
The molecular weight of RefChem:1084547 is 423.20 g/mol.
Where can I buy RefChem:1084547?
You can request a quote for RefChem:1084547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084547?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.